3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole

C21H18N2 — CID 159925470

IUPAC3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole
SMILESc1cncc(N2CCc3c2ccc2c3Cc3ccccc3C2)c1
InChIInChI=1S/C21H18N2/c1-2-5-16-13-20-17(12-15(16)4-1)7-8-21-19(20)9-11-23(21)18-6-3-10-22-14-18/h1-8,10,14H,9,11-13H2
InChIKeyFHTPVSSJISDEQF-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.27
Rot. Bonds1

About 3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole

3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole (PubChem CID 159925470) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole.

Molecular Properties

Compound Name3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole
PubChem CID159925470
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole
SMILESc1cncc(N2CCc3c2ccc2c3Cc3ccccc3C2)c1
InChIInChI=1S/C21H18N2/c1-2-5-16-13-20-17(12-15(16)4-1)7-8-21-19(20)9-11-23(21)18-6-3-10-22-14-18/h1-8,10,14H,9,11-13H2
InChIKeyFHTPVSSJISDEQF-UHFFFAOYSA-N
XLogP4.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole?
The IUPAC name of 3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole (CID 159925470) is 3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole.
What is the SMILES notation for 3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole?
The canonical SMILES for 3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole is c1cncc(N2CCc3c2ccc2c3Cc3ccccc3C2)c1.
What is the InChIKey of 3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole?
The InChIKey is FHTPVSSJISDEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-2-5-16-13-20-17(12-15(16)4-1)7-8-21-19(20)9-11-23(21)18-6-3-10-22-14-18/h1-8,10,14H,9,11-13H2.
What are the key properties of 3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole?
3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole has a molecular weight of 298.39 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole is sourced from PubChem (CID 159925470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).